MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000217
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000217
RECORD_TITLE: PARA NITRO PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA NITRO PHENOL
CH$NAME: PARA HYDROXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY
BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021834
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kr-9200000000-6a367c2627bf30cad163
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 5.34 53
27 11.21 112
28 3.47 35
29 3.2 32
30 10.15 102
37 6.68 67
38 16.69 167
39 86.11 861
40 2.94 29
43 2.34 23
44 2.47 25
50 12.02 120
51 9.75 98
52 7.34 73
53 22.96 230
54 2.34 23
55 3.47 35
61 5.61 56
62 12.02 120
63 26.57 266
64 11.28 113
65 99.99 999
66 7.88 79
74 5.47 55
75 5.81 58
80 1.8 18
81 28.04 280
82 1.87 19
92 2.47 25
93 17.69 177
94 1.8 18
95 3.94 39
109 64.22 642
110 4.14 41
123 9.21 92
139 40.65 407
140 5.67 57
//